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5-isoquinolin-5-ylsulfonyl-6-nitro-1,3-dihydrobenzimidazol-2-one; sulfuric acid

5-isoquinolin-5-ylsulfonyl-6-nitro-1,3-dihydrobenzimidazol-2-one; sulfuric acid

Systemtic Name:5-isoquinolin-5-ylsulfonyl-6-nitro-1,3-dihydrobenzimidazol-2-one; sulfuric acid
Openeye Name:5-(5-isoquinolylsulfonyl)-6-nitro-1,3-dihydrobenzimidazol-2-one; sulfuric acid
CAS Name:5-(5-isoquinolinylsulfonyl)-6-nitro-1,3-dihydrobenzimidazol-2-one; sulfuric acid
IUPAC Name:5-isoquinolin-5-ylsulfonyl-6-nitro-1,3-dihydrobenzimidazol-2-one; sulfuric acid
Traditional Name:5-(5-isoquinolylsulfonyl)-6-nitro-1,3-dihydrobenzimidazol-2-one; sulfuric acid
Formula: C16H12N4O9S2
MolecularWeight: 468.41788
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)C3=C(C=C4C(=C3)NC(=O)N4)[N+](=O)[O-].OS(=O)(=O)O


Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)C3=C(C=C4C(=C3)NC(=O)N4)[N+](=O)[O-].OS(=O)(=O)O


InChI

InChI=1S/C16H10N4O5S.H2O4S/c21-16-18-11-6-13(20(22)23)15(7-12(11)19-16)26(24,25)14-3-1-2-9-8-17-5-4-10(9)14;1-5(2,3)4/h1-8H,(H2,18,19,21);(H2,1,2,3,4)


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